2-[[4-(2-azanyl-2-oxidanylidene-ethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(2-azanyl-2-oxidanylidene-ethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-amino-2-oxo-ethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-amino-2-oxoethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-amino-2-oxoethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-amino-2-keto-ethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CC(=O)N)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CC(=O)N)SCC(=O)O

InChI

InChI=1S/C12H12N4O3S/c13-9(17)6-16-11(8-4-2-1-3-5-8)14-15-12(16)20-7-10(18)19/h1-5H,6-7H2,(H2,13,17)(H,18,19)